Au4La4O12
Au4La4O12 is a stable, semiconducting ternary oxide composed of gold, lanthanum, and oxygen.
About Au4La4O12
Au4La4O12 is a complex oxide featuring gold and lanthanum. As a thermodynamically stable compound residing on the convex hull, it represents a robust phase within its elemental system, characterized by a semiconducting electronic nature.
This material is of significant interest to researchers studying the intersection of noble metal chemistry and rare-earth oxides. Its stability suggests potential for specialized applications where consistent structural integrity is required under varying conditions.
Key Properties
Cross-validated computational properties for Au4La4O12, aggregated across 3 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for Au4La4O12, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| Pbcm (No. 57) | orthorhombic | 1.80 | 0.0000 | -6.926 | 8.44 |
| Pbcm (No. 57) | — | — | — | — | — |
| — | — | — | — | — | 8.31 |
Applications
Where Au4La4O12 is used.
Frequently Asked Questions
Common questions about Au4La4O12, answered from cross-validated data.
What is Au4La4O12?
Au4La4O12 is a stable, semiconducting ternary oxide composed of gold, lanthanum, and oxygen.
What is Au4La4O12 used for?
What is the band gap of Au4La4O12?
Is Au4La4O12 a metal, semiconductor, or insulator?
Is Au4La4O12 thermodynamically stable?
What is the crystal structure of Au4La4O12?
What is the density of Au4La4O12?
How many polymorphs of Au4La4O12 are known?
What elements does Au4La4O12 contain?
Where does the data for Au4La4O12 come from?
How It Compares
As a unique ternary oxide, Au4La4O12 serves as a foundational example of how gold can be integrated into lanthanum-based oxide frameworks. Without direct siblings in this specific compositional class, it stands as a distinct entry point for exploring the electronic and structural behaviors of gold-lanthanum-oxygen systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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